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101335-99-3 | 2-Thiophenepentanoic acid, 5-(3-phenylpropyl)-
CAS No: 101335-99-3 Catalog No: AG00049C MDL No:
Product Description
Catalog Number:
AG00049C
Chemical Name:
2-Thiophenepentanoic acid, 5-(3-phenylpropyl)-
CAS Number:
101335-99-3
Molecular Formula:
C18H22O2S
Molecular Weight:
302.4311
IUPAC Name:
5-[5-(3-phenylpropyl)thiophen-2-yl]pentanoic acid
InChI:
InChI=1S/C18H22O2S/c19-18(20)12-5-4-10-16-13-14-17(21-16)11-6-9-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12H2,(H,19,20)
InChI Key:
DMDLRGRLIWYPQF-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCc1ccc(s1)CCCc1ccccc1
UNII:
4C9310B127
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.134g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.432g/mol
Monoisotopic Mass:
302.134g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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